BDBM347781 US9790220, Example 14

SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3N3CCCC3)sc2c1

InChI Key InChIKey=KIELRMBPXHVTPP-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347781   

TargetOrexin/Hypocretin receptor type 1(Human)
Takeda Pharmaceutical

US Patent
LigandPNGBDBM347781(US9790220, Example 14)
Affinity DataIC50: 170nMAssay Description:Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/9/2019
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Takeda Pharmaceutical

US Patent
LigandPNGBDBM347781(US9790220, Example 14)
Affinity DataIC50: 1.00E+4nMAssay Description:Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/9/2019
Entry Details
US Patent